(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid Formula: C56H93N21O12 MolecularWeight: 1252.47112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N

InChI

InChI=1S/C56H93N21O12/c1-33(59)45(80)71-38(21-12-26-66-54(60)61)48(83)75-40(23-14-28-68-56(64)65)50(85)73-37(20-9-11-25-58)47(82)74-39(22-13-27-67-55(62)63)49(84)72-36(19-8-10-24-57)46(81)69-31-44(79)70-43(32-78)52(87)76-41(29-34-15-4-2-5-16-34)51(86)77-42(53(88)89)30-35-17-6-3-7-18-35/h2-7,15-18,33,36-43,78H,8-14,19-32,57-59H2,1H3,(H,69,81)(H,70,79)(H,71,80)(H,72,84)(H,73,85)(H,74,82)(H,75,83)(H,76,87)(H,77,86)(H,88,89)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t33-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1