(4S)-5-[[(2S)-6-azanyl-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-3-methyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-[[(2S)-2-[2-[[(2S,3S)-2-[[(2S)-2-azanyl-3-phenyl-propanoy

Systemtic Name: (4S)-5-[[(2S)-6-azanyl-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-3-methyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-[[(2S)-2-[2-[[(2S,3S)-2-[[(2S)-2-azanyl-3-phenyl-propanoy Openeye Name: (4S)-5-[[(1S)-5-amino-1-[[(1S)-1-[[2-[[(1S,2R)-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-2-methyl-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]pentyl]amino]-4-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]propanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-[[2-[[(2S,3R)-3-hydroxy-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-4-hydroxy-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-[[2-[[(2S,3R)-3-hydroxy-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-4-hydroxy-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-5-amino-1-[[(1S)-1-[[2-[[(1S,2R)-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-2-keto-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]pentyl]amino]-4-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]propanoyl]amino]-5-keto-valeric acid Formula: C60H99N17O20 MolecularWeight: 1378.52996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N

InChI

InChI=1S/C60H99N17O20/c1-9-31(6)47(77-50(87)35(62)24-34-16-11-10-12-17-34)56(93)67-26-41(80)68-32(7)49(86)69-38(20-21-43(82)83)53(90)71-37(18-13-14-22-61)52(89)70-36(19-15-23-65-60(63)64)51(88)66-27-42(81)74-48(33(8)79)58(95)73-40(28-78)55(92)75-45(29(2)3)57(94)72-39(25-44(84)85)54(91)76-46(30(4)5)59(96)97/h10-12,16-17,29-33,35-40,45-48,78-79H,9,13-15,18-28,61-62H2,1-8H3,(H,66,88)(H,67,93)(H,68,80)(H,69,86)(H,70,89)(H,71,90)(H,72,94)(H,73,95)(H,74,81)(H,75,92)(H,76,91)(H,77,87)(H,82,83)(H,84,85)(H,96,97)(H4,63,64,65)/t31-,32-,33+,35-,36-,37-,38-,39-,40-,45-,46-,47-,48-/m0/s1