(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[(2-amino-1-oxoethyl)amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-(glycylamino)-3-hydroxy-propanoyl]prolyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-valeric acid Formula: C42H65N13O14 MolecularWeight: 976.0442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(C)NC(=O)C3CCCN3C(=O)C(CO)NC(=O)CN)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)NC(=O)CN)O

InChI

InChI=1S/C42H65N13O14/c1-19(48-36(63)29-12-8-14-55(29)40(67)28(18-56)49-30(60)16-43)34(61)52-31(20(2)57)38(65)51-27(15-23-17-47-25-10-6-5-9-24(23)25)35(62)53-33(22(4)59)39(66)54-32(21(3)58)37(64)50-26(41(68)69)11-7-13-46-42(44)45/h5-6,9-10,17,19-22,26-29,31-33,47,56-59H,7-8,11-16,18,43H2,1-4H3,(H,48,63)(H,49,60)(H,50,64)(H,51,65)(H,52,61)(H,53,62)(H,54,66)(H,68,69)(H4,44,45,46)/t19-,20+,21+,22+,26-,27-,28-,29-,31-,32-,33-/m0/s1