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3-azanyl-4-[2-[[1-[[6-azanyl-1-[[1-[[1-[[5-azanyl-1-[[1-[[1-[[1-[2-[[6-azanyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]hexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-methyl

3-azanyl-4-[2-[[1-[[6-azanyl-1-[[1-[[1-[[5-azanyl-1-[[1-[[1-[[1-[2-[[6-azanyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]hexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-methyl

Systemtic Name:3-azanyl-4-[2-[[1-[[6-azanyl-1-[[1-[[1-[[5-azanyl-1-[[1-[[1-[[1-[2-[[6-azanyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]hexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-methyl
Openeye Name:3-amino-4-[2-[[1-[[5-amino-1-[[1-[[1-[[4-amino-1-[[1-[[1-[[2-[2-[[5-amino-1-[(2-hydroxy-1-methyl-2-oxo-ethyl)carbamoyl]pentyl]carbamoyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]pentyl]carbamoyl]-2-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-4-oxo-butanoic acid
CAS Name:3-amino-4-[2-[[[1-[[6-amino-1-[[1-[[1-[[5-amino-1-[[1-[[1-[[1-[2-[[[6-amino-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxohexan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxopropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-4-oxobutanoic acid
IUPAC Name:3-amino-4-[2-[[1-[[6-amino-1-[[1-[[1-[[5-amino-1-[[1-[[1-[[1-[2-[[6-amino-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid
Traditional Name:3-amino-4-[2-[[1-[[5-amino-1-[[1-[[1-[[4-amino-1-[[1-[[1-[[2-[2-[[5-amino-1-[(2-hydroxy-2-keto-1-methyl-ethyl)carbamoyl]pentyl]carbamoyl]pyrrolidino]-2-keto-1-methyl-ethyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-4-keto-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]pentyl]carbamoyl]-2-methyl-butyl]carbamoyl]pyrrolidino]-4-keto-butyric acid
Formula: C63H107N19O21
MolecularWeight: 1466.63838
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C)C(=O)O)NC(=O)C2CCCN2C(=O)C(CC(=O)O)N


Isomeric SMILES

CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C)C(=O)O)NC(=O)C2CCCN2C(=O)C(CC(=O)O)N


InChI

InChI=1S/C63H107N19O21/c1-7-31(3)48(79-53(93)38(18-13-25-70-63(68)69)73-51(91)37(17-10-12-24-65)75-59(99)49(32(4)8-2)80-57(97)43-20-15-27-82(43)61(101)35(66)28-45(84)85)58(98)76-39(21-22-44(67)83)52(92)77-41(30-47(88)89)55(95)78-40(29-46(86)87)54(94)71-33(5)60(100)81-26-14-19-42(81)56(96)74-36(16-9-11-23-64)50(90)72-34(6)62(102)103/h31-43,48-49H,7-30,64-66H2,1-6H3,(H2,67,83)(H,71,94)(H,72,90)(H,73,91)(H,74,96)(H,75,99)(H,76,98)(H,77,92)(H,78,95)(H,79,93)(H,80,97)(H,84,85)(H,86,87)(H,88,89)(H,102,103)(H4,68,69,70)


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